SCHEMBL19675944

SCHEMBL19675944

CCCNc1nc(Nc2ccc(C#N)cc2)ncc1C#CCCCNC(=O)C(NC)[C@@H](C)I

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.67
TBK1 Q9UHD2 3/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
FLT1 P17948 1/20 0.36
JAK1 P23458 1/20 0.36
FLT4 P35916 1/20 0.36
BLK P51451 1/20 0.36
ITK Q08881 1/20 0.36
SYK P43405 3/20 0.36
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
MERTK Q12866 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 2/20 0.34
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16450121 0.93 FLT3 (0.68) FLT3TBK1JAK2JAK3FLT1
SCHEMBL15584736 0.91 FLT3 (0.70) FLT3TBK1JAK2JAK3FLT1
SCHEMBL17969617 0.91 FLT3 (0.70) FLT3TBK1JAK2JAK3FLT1
SCHEMBL15585805 0.91 FLT3 (0.70) FLT3TBK1JAK2JAK3FLT1
SCHEMBL15585824 0.88 FLT3 (0.67) FLT3TBK1JAK2JAK3FLT1
SCHEMBL15585827 0.88 FLT3 (0.67) FLT3TBK1JAK2JAK3FLT1
SCHEMBL19102809 0.87 FLT3 (0.76) FLT3TBK1JAK2JAK3FLT1
SCHEMBL15585091 0.86 FLT3 (0.65) FLT3TBK1JAK2JAK3FLT1
SCHEMBL19675986 0.86 FLT3 (0.65) FLT3TBK1JAK2JAK3FLT1
SCHEMBL17969608 0.85 FLT3 (0.80) FLT3TBK1JAK2JAK3FLT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed